Basic information
- Standard SMILES
Nc1cccc(C(=O)Nc2ccccc2)c1- InChIKey
KPSPULPPMWHXGE-UHFFFAOYSA-N- Molecular formula
- C13H12N2O
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.094963
Names & identifiers
- Preferred name
- 3-Aminobenzanilide
- IUPAC
- 3-amino-N-phenylbenzamide
- English name
- 3-Aminobenzanilide
- Molecular formula
- C13H12N2O
- Molecular weight
- 212.25
Names & synonyms
3-Aminobenzanilide3-Amino-N-phenylbenzamidem-AminobenzanilideBenzamide, 3-amino-N-phenyl-J6W3FN9XB7DTXSID70162326NSC 50645RefChem:92959DTXCID9084817238-257-814315-16-3Benzanilide, 3-amino-
Show more names
3-amino-benzanilidN-Phenyl-3-aminobenzamide3-amino-n-phenyl-benzamid3-aminobenzoicacidanilide3-azanyl-N-phenyl-benzamide
3-Aminobenzoic acid anilide3-Amino-N-phenyl-benzamideMFCD000171013-Amino-N-phenylbenzamide hydrochloride(3-aminophenyl)-N-benzamide81415-64-7EINECS 238-257-8BRN 2105161
Database identifiers
- CAS
14315-16-3- PubChem CID
- 84347
- DTXSID
DTXSID70162326- ChEMBL
CHEMBL39258- UNII
- J6W3FN9XB7
- EC Number
- 238-257-8
- Nikkaji
- J54.717D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 124 · 124~125℃
- Boiling point
- 323.9 · 323.9±25.0 °C(Predicted)
- Density
- 1.244 · 1.244±0.06 g/cm3(Predicted)
- form
- solid
- pka
- 13.7 · 13.70±0.70(Predicted)
- InChI
- 1S/C13H12N2O/c14-11-6-4-5-10(9-11)13(16)15-12-7-2-1-3-8-12/h1-9H,14H2,(H,15,16)
- InChIKey
- KPSPULPPMWHXGE-UHFFFAOYSA-N
- SMILES
- Nc1cccc(c1)C(=O)Nc2ccccc2
- FDA UNII
- 6 W3FN9XB7 · J6W3FN9XB7
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 52 · 52/53
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 3 · Aquatic Chronic 3
Safety & regulation
GHS classification
GHS Classification
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 3 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 52/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Aquatic Chronic 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers15 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Aladdin Scientific[email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
15 records
Linked notes
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